2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid

C12H8N2O4 — CID 87890219

IUPAC2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2=CCOO2)nc2ncccc12
InChIInChI=1S/C12H8N2O4/c15-12(16)8-6-9(10-3-5-17-18-10)14-11-7(8)2-1-4-13-11/h1-4,6H,5H2,(H,15,16)
InChIKeyUUEPLWGEDYAMSS-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.63
Rot. Bonds2

About 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid

2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid (PubChem CID 87890219) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid
PubChem CID87890219
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2=CCOO2)nc2ncccc12
InChIInChI=1S/C12H8N2O4/c15-12(16)8-6-9(10-3-5-17-18-10)14-11-7(8)2-1-4-13-11/h1-4,6H,5H2,(H,15,16)
InChIKeyUUEPLWGEDYAMSS-UHFFFAOYSA-N
XLogP1.63
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid?
The IUPAC name of 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid (CID 87890219) is 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid?
The canonical SMILES for 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid is O=C(O)c1cc(C2=CCOO2)nc2ncccc12.
What is the InChIKey of 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid?
The InChIKey is UUEPLWGEDYAMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-12(16)8-6-9(10-3-5-17-18-10)14-11-7(8)2-1-4-13-11/h1-4,6H,5H2,(H,15,16).
What are the key properties of 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid?
2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dioxol-5-yl)-1,8-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 87890219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).